Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2cnsc12 |
MW: | 303.02 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.88 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-b1ef24dc-4
0.560
ADA-UCB-6c2cb422-1
0.541
JIN-POS-6dc588a4-14
0.539
JAN-GHE-5a013bed-10
0.536
PET-UNK-8df914d1-3
0.535
MAT-POS-bb423b95-1
0.533
EDJ-MED-6ab52e52-1
0.533
MIC-UNK-51049f1a-6
0.533
MIC-UNK-50cce87d-2
0.533
JIN-POS-6dc588a4-11
0.532
PET-UNK-b1ef24dc-1
0.526
RUB-POS-1325a9ea-12
0.526
PET-UNK-e274cad4-6
0.526
RUB-POS-1325a9ea-4
0.526
ALP-POS-95b75b4d-6
0.521
TRY-UNI-714a760b-3
0.521
EDJ-MED-c5ca5386-1
0.519
MAT-POS-bb423b95-8
0.519
MAT-POS-f7918075-5
0.519
MAT-POS-bb423b95-2
0.519
MIC-UNK-50cce87d-3
0.519
RUB-POS-1325a9ea-3
0.519
MIC-UNK-50cce87d-1
0.519
RUB-POS-1325a9ea-2
0.519
MIC-UNK-7574fcc6-1
0.513
ALP-POS-95b75b4d-8
0.507
SAM-UNK-2684b532-13
0.507
RUB-POS-1325a9ea-14
0.506
MIC-UNK-50cce87d-4
0.506
PET-UNK-e274cad4-1
0.506
MAT-POS-90fd5f68-40
0.506
RUB-POS-1325a9ea-9
0.506
MAT-POS-c20a539d-6
0.506
MAT-POS-29385cc1-3
0.506
MAT-POS-c20a539d-4
0.506
MAT-POS-90fd5f68-4
0.506
PET-UNK-6314f867-2
0.506
EDJ-MED-239d8ca5-1
0.506
MAT-POS-c20a539d-5
0.506
MAT-POS-c20a539d-2
0.500
MIC-UNK-51049f1a-5
0.500
JOH-UNI-abfda500-5
0.500
RUB-POS-1325a9ea-11
0.500
MIC-UNK-668ac5de-1
0.500
MIC-UNK-f2576da4-1
0.500
MAT-POS-90fd5f68-38
0.500
MAT-POS-90fd5f68-37
0.500
ANN-UNI-98d2bf15-3
0.500
PET-UNK-6314f867-3
0.500
MAT-POS-29385cc1-4
0.500
PET-UNK-f4e47ebd-2
0.500
JIN-POS-6dc588a4-10
0.500
JOH-UNI-ee5ed7c8-3
0.494
MAT-POS-90fd5f68-19
0.494
EDJ-MED-00c1612e-1
0.494
PET-UNK-8df914d1-1
0.494
MAT-POS-90fd5f68-1
0.494
JOH-UNI-3fc3434e-3
0.494
MAT-POS-f7918075-8
0.494
MIC-UNK-08cd9c58-1
0.494
MAT-POS-f7918075-3
0.494
ALP-POS-95b75b4d-5
0.494
MAT-POS-bb423b95-9
0.494
MAT-POS-bb423b95-4
0.494
TRY-UNI-714a760b-6
0.493
PET-UNK-158bee2a-2
0.493
MAT-POS-c20a539d-3
0.488
MAT-POS-90fd5f68-3
0.488
MAT-POS-90fd5f68-21
0.488
MIC-UNK-9dc9fcd1-1
0.488
MAT-POS-c20a539d-1
0.488
PET-UNK-d899bab6-1
0.488
MAT-POS-90fd5f68-7
0.488
MAT-POS-90fd5f68-22
0.488
EDJ-MED-c5ca5386-2
0.488
MAT-POS-90fd5f68-25
0.488
MAT-POS-c0609ef7-1
0.488
MAT-POS-8feb6e35-1
0.488
PET-UNK-7f7e354d-7
0.487
JIN-POS-6dc588a4-22
0.487
EDJ-MED-a364e151-3
0.487
RUB-POS-1325a9ea-19
0.487
ABI-SAT-4d06482b-2
0.486
EDG-MED-0da5ad92-16
0.486
PET-UNK-158bee2a-3
0.486
PET-UNK-7fb4f80a-2
0.482
JOH-UNI-ee5ed7c8-1
0.482
PET-UNK-d899bab6-3
0.482
MAT-POS-90fd5f68-41
0.482
PET-UNK-f4e47ebd-1
0.482
MAT-POS-90fd5f68-11
0.482
MAT-POS-90fd5f68-20
0.482
MAT-POS-90fd5f68-29
0.482
PET-UNK-b38839dc-2
0.482
JOH-UNI-3fc3434e-1
0.482
JIN-POS-6dc588a4-12
0.481
JOH-UNI-abfda500-4
0.480
PET-UNK-158bee2a-4
0.479
JOH-UNI-ee5ed7c8-2
0.477
JOH-UNI-3fc3434e-2
0.477